1-naphthyl isothiocyanate
1-naphthyl isothiocyanate structure
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Common Name | 1-naphthyl isothiocyanate | ||
|---|---|---|---|---|
| CAS Number | 551-06-4 | Molecular Weight | 185.245 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 339.3±11.0 °C at 760 mmHg | |
| Molecular Formula | C11H7NS | Melting Point | 55.5-57 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 167.2±27.1 °C | |
| Symbol |
GHS06, GHS08 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-naphthyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 339.3±11.0 °C at 760 mmHg |
| Melting Point | 55.5-57 °C(lit.) |
| Molecular Formula | C11H7NS |
| Molecular Weight | 185.245 |
| Flash Point | 167.2±27.1 °C |
| Exact Mass | 185.029922 |
| PSA | 44.45000 |
| LogP | 4.47 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.623 |
| InChIKey | JBDOSUUXMYMWQH-UHFFFAOYSA-N |
| SMILES | S=C=Nc1cccc2ccccc12 |
| Stability | Stable, but moisture sensitive. Incompatible with strong oxidizing agents. |
| Water Solubility | insoluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H312 + H332-H315-H319-H334-H335 |
| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338-P342 + P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R23/24/25 |
| Safety Phrases | S22-S26-S36/37-S45-S24/25 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | NX9100000 |
| Packaging Group | II |
| Hazard Class | 6.1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:463-71-8
CAS#:134-32-7
CAS#:86-88-4
CAS#:1984-04-9
CAS#:29647-76-5
CAS#:75-15-0
CAS#:13037-43-9
CAS#:1005-56-7
CAS#:96989-50-3![Naphtho[1,2-d]thiazol-2(1H)-one (9CI) structure](https://image.chemsrc.com/caspic/207/109967-34-2.png)
CAS#:109967-34-2
CAS#:14331-22-7
CAS#:42135-78-4
CAS#:22453-82-3
CAS#:2078-93-5
CAS#:30488-00-7
CAS#:24775-57-3
CAS#:23517-78-4
CAS#:575-36-0This table lists relevant public references with title, journal and publication metadata for this compound.
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Salting-out assisted liquid-liquid extraction for the determination of biogenic amines in fruit juices and alcoholic beverages after derivatization with 1-naphthylisothiocyanate and high performance liquid chromatography.
J. Chromatogr. A. 1422 , 60-72, (2015) A new method for determining biogenic amines in fruit juices and alcoholic beverages is described involving reaction of biogenic amines with 1-naphthylisothiocyanate followed by extraction of 1-naphth... |
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All-trans-retinoic acid improves cholestasis in α-naphthylisothiocyanate-treated rats and Mdr2-/- mice.
J. Pharmacol. Exp. Ther. 349(1) , 94-8, (2014) Chronic cholestasis results in liver injury and eventually liver failure. Although ursodeoxycholic acid (UDCA) showed limited benefits in primary biliary cirrhosis, there is an urgent need to develop ... |
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Changes of pharmacokinetics of 6,7-dimethoxycoumarin in a rat model of alpha-naphthylisothiocyanate-induced experimental hepatic injury after Yinchenhao Decoction () treatment.
Chin. J. Integr. Med. 18(11) , 831-6, (2012) To study the changes of pharmacokinetics of 6,7-dimethoxycoumarin in a rat model of alpha-naphthylisothiocyanate (ANIT)-induced experimental hepatic injury after oral administration of Yinchenhao Deco... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 208-990-8 |
| isothiocyanato-naphthalen |
| 1-Naftylisothiokyanat |
| Naphthyl mustard oil |
| 1-Isothiocyanatonaphthalene |
| ANIT |
| 1-naphthyl isothiocyanate |
| 1-NAPTHYL ISOTHIOCYANATE |
| 1-Naphtyl isothiocyanate |
| 1-Naphthyl senfoel |
| ANI |
| Kesscocide |
| MFCD00003882 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 1-naphthyl isothiocyanate? |
| A: Melting point of 1-naphthyl isothiocyanate is 55.5-57 °C(lit.). |
| Q: How is the water solubility of 1-naphthyl isothiocyanate? |
| A: Water solubility of 1-naphthyl isothiocyanate: insoluble. |
| Q: What are the upstream materials of 1-naphthyl isothiocyanate? |
| A: Related upstream materials(CAS) of 1-naphthyl isothiocyanate: 463-71-8;134-32-7;86-88-4;1984-04-9;29647-76-5;75-15-0;13037-43-9;1005-56-7;96989-50-3. |
| Q: What are the downstream products of 1-naphthyl isothiocyanate? |
| A: Related downstream products(CAS) of 1-naphthyl isothiocyanate: 109967-34-2;14331-22-7;42135-78-4;22453-82-3;2078-93-5;30488-00-7;24775-57-3;23517-78-4;86-88-4;575-36-0. |
| Q: What is the safety information for 1-naphthyl isothiocyanate? |
| A: Safety information for 1-naphthyl isothiocyanate: S22-S26-S36/37-S45-S24/25. |
| Q: What is the SMILES notation of 1-naphthyl isothiocyanate? |
| A: SMILES notation of 1-naphthyl isothiocyanate is S=C=Nc1cccc2ccccc12. |
| Q: What is the InChIKey of 1-naphthyl isothiocyanate? |
| A: InChIKey of 1-naphthyl isothiocyanate is JBDOSUUXMYMWQH-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 1-naphthyl isothiocyanate? |
| A: Molecular formula of 1-naphthyl isothiocyanate is C11H7NS. |
| Q: What is the boiling point of 1-naphthyl isothiocyanate? |
| A: Boiling point of 1-naphthyl isothiocyanate is 339.3±11.0 °C at 760 mmHg. |
| Q: What is the LogP of 1-naphthyl isothiocyanate? |
| A: LogP of 1-naphthyl isothiocyanate is 4.47. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |